1212184-75-2
Product Name:
Dimethyl 5,5-dicyano-2-hydroxy-6-[4-(methylsulfanyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1-cyclohexene-1,3-dicarboxylate
Formula:
C26H21F3N2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 530.5 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 530.11232743 g/mol |
| Monoisotopic Mass | 530.11232743 g/mol |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 994 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |